4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol

C14H13NO4 — CID 135881447

IUPAC4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol
SMILESCOc1ccc(/C(=N/O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C14H13NO4/c1-19-11-5-2-9(3-6-11)14(15-18)12-7-4-10(16)8-13(12)17/h2-8,16-18H,1H3/b15-14-
InChIKeyRCEPKOKPZRTBGS-PFONDFGASA-N
MW259.26 g/mol
LogP2.33
Rot. Bonds3

About 4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol

4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol (PubChem CID 135881447) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol
PubChem CID135881447
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol
SMILESCOc1ccc(/C(=N/O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C14H13NO4/c1-19-11-5-2-9(3-6-11)14(15-18)12-7-4-10(16)8-13(12)17/h2-8,16-18H,1H3/b15-14-
InChIKeyRCEPKOKPZRTBGS-PFONDFGASA-N
XLogP2.33
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol
CID 4224986
2-[N-hydroxy-C-(4-methylphenyl)carbonimidoyl]-5-methoxyphenol
CID 4154047
2-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]-4-methoxyphenol
CID 135881446
(NE)-N-[(2,4-difluorophenyl)-(4-methoxyphenyl)methylidene]hydroxylamine
CID 58928302
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
CID 137082808
N-[(2,4-dimethoxyphenyl)-(4-methylphenyl)methylidene]hydroxylamine
CID 88635833
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 135738429
5-butoxy-2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 136848935
N-[[2,6-bis(methylsulfanyl)-4-pyridinyl]-(4-methoxyphenyl)methylidene]hydroxylamine
CID 162650517
2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol
CID 136832737
5-hexoxy-2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]phenol
CID 135699307
(2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one
CID 821427

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol?
The IUPAC name of 4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol (CID 135881447) is 4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol?
The canonical SMILES for 4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol is COc1ccc(/C(=N/O)c2ccc(O)cc2O)cc1.
What is the InChIKey of 4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol?
The InChIKey is RCEPKOKPZRTBGS-PFONDFGASA-N. The full InChI is InChI=1S/C14H13NO4/c1-19-11-5-2-9(3-6-11)14(15-18)12-7-4-10(16)8-13(12)17/h2-8,16-18H,1H3/b15-14-.
What are the key properties of 4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol?
4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol has a molecular weight of 259.26 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol is sourced from PubChem (CID 135881447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).